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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha2' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrin alpha2


(Homo sapiens (human))
BDBM50296633
PNG
((R)-3-(furan-3-carboxamido)-2-(2-methylphenylsulfo...)
Show SMILES Cc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccoc1)C(O)=O
Show InChI InChI=1S/C15H16N2O6S/c1-10-4-2-3-5-13(10)24(21,22)17-12(15(19)20)8-16-14(18)11-6-7-23-9-11/h2-7,9,12,17H,8H2,1H3,(H,16,18)(H,19,20)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.38E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alpha2beta3a integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair
Integrin alpha2


(Homo sapiens (human))
BDBM50370964
PNG
(CHEMBL225917)
Show SMILES CCc1cc(O)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2c1C(=O)OC
Show InChI InChI=1S/C22H16O7/c1-3-9-7-14(24)17-11(15(9)22(28)29-2)8-12-18(21(17)27)20(26)16-10(19(12)25)5-4-6-13(16)23/h4-8,23-24,27H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Turku

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-2 domain binding to collagen 1 by Europium-labeled anti-GST assay


J Med Chem 50: 2742-6 (2007)

More data for this
Ligand-Target Pair
Integrin alpha2


(Homo sapiens (human))
BDBM50296634
PNG
((R)-3-(furan-3-carboxamido)-2-(2-methoxyphenylsulf...)
Show SMILES COc1ccccc1S(=O)(=O)N[C@H](CNC(=O)c1ccoc1)C(O)=O
Show InChI InChI=1S/C15H16N2O7S/c1-23-12-4-2-3-5-13(12)25(21,22)17-11(15(19)20)8-16-14(18)10-6-7-24-9-10/h2-7,9,11,17H,8H2,1H3,(H,16,18)(H,19,20)/t11-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fibrinogen binding to alpha2beta3a integrin


Bioorg Med Chem Lett 19: 4832-5 (2009)

More data for this
Ligand-Target Pair